SCHEMBL801104

SCHEMBL801104

NNC(=S)c1cc(F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
IDO1 P14902 2/20 0.41
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KEAP1 Q14145 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
CTSL P07711 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ALPL P05186 1/20 0.33
MAOB P27338 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1792772 0.98 CES2 (0.48) CES2CES1IDO1CA3CA6
SCHEMBL3079891 0.84 CES2 (0.50) CES2CES1IDO1ALDH1A1MAPT
SCHEMBL15927202 0.77 CES2 (0.47) CES2CES1CA3CA6CA5A
SCHEMBL84139 0.77 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL84165 0.76 CES2 (0.50) CES2CES1IDO1CA3CA6
SCHEMBL246382 0.76 CES2 (0.61) CES2CES1KEAP1ALDH1A1MAPT
SCHEMBL23938466 0.73 CES2 (0.47) CES2CES1IDO1CA3CA6
SCHEMBL20560609 0.72 CES2 (0.56) CES2CES1CA3CA6CA5A
SCHEMBL800956 0.72 CES2 (0.50) CES2CES1CA3CA6CA5A
SCHEMBL27673772 0.72 CES2 (0.74) CES2CES1CA3CA6CA5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023059605-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
WO-2023059582-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
US-20180334441-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2018-11-22 US disclosed
US-10017482-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2018-07-10 US disclosed
CN-103951633-B Mitotic kinesin inhibitors and methods of use thereof 阿雷生物药品公司 2017-05-10 CN disclosed
US-20170066733-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2017-03-09 US disclosed
US-9499503-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2016-11-22 US disclosed
CN-103626720-B Mitotic kinesin inhibitors and using method thereof 阿雷生物药品公司 2016-11-16 CN disclosed
EP-2220061-B1 SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME (US) 2016-02-17 EP disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
WO-2009052288-A1 SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2009-04-23 WO disclosed
US-7449486-B2 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. (US) 2008-11-11 US disclosed
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents ARRAY BIOPHARMA, INC. 2008-07-31 US disclosed
EP-1879886-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-01-23 EP disclosed
CN-101083988-A Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2007-12-05 CN disclosed
EP-1809280-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2007-07-25 EP disclosed
WO-2006119146-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-09 WO disclosed
US-20060247178-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2006-11-02 US disclosed
US-20060100161-A1 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. 2006-05-11 US disclosed
WO-2006044825-A2 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-04-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents KIF5B, KIF2C, KIFC1 CES2 3607/4885CES1 2573/4885IDO1 517/4885
US-20180334441-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF18B, KIF18A CES2 2733/4885CES1 2193/4885IDO1 4275/4885
US-20060100161-A1 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders KIF5B, KIF2C, KIFC1 CES2 4225/4885CES1 2914/4885IDO1 445/4885
US-10017482-B2 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF18B, KIF18A CES2 2733/4885CES1 2193/4885IDO1 4275/4885
US-20060247178-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 CES2 2505/4885CES1 1921/4885IDO1 4220/4885
US-20170066733-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF18B, KIF18A CES2 2733/4885CES1 2193/4885IDO1 4275/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.