Sugi Predict

Sugi Predict / Compounds / SCHEMBL9929600

SCHEMBL9929600

SCHEMBL9929600

COc1cc2c3c(c4c(c2cc1OC)-c1cccc(C(F)(F)F)c1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ ULK1 O75385 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ USP1 O94782 2/20 0.34
▸ WDR48 Q8TAF3 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AGER Q15109 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP2 O75604 2/20 0.33
▸ CYP1A2 P05177 2/20 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
SCHEMBL29664057 1.00 PTK2 (0.35) PTK2MAPK10ULK1MAPK9S1PR1
SCHEMBL1045266 0.88 STK10 (0.35) PTK2MAPTTSHRKDM4ELMNA
SCHEMBL29453309 0.88 STK10 (0.35) PTK2MAPTTSHRKDM4ELMNA
SCHEMBL1965327 0.88 RAF1 (0.34) PTK2MAPK10ULK1MAPK9SMN1; SMN2
SCHEMBL25605286 0.87 RAF1 (0.33) PTK2ULK1MAPTALOX15TSHR
SCHEMBL3707410 0.86 HIF1A (0.34) PTK2MAPTKDM4ELMNAMEN1
SCHEMBL25605055 0.86 STK10 (0.36) MAPTTSHRKDM4ELMNAMEN1
SCHEMBL25844468 0.86 MAP4K1 (0.33) PTK2MAPK10MAPK9MAPTTSHR
SCHEMBL25716579 0.85 STK10 (0.31) MAPK10MAPK9MAPTKDM4ELMNA
SCHEMBL25849395 0.84 TNIK (0.34) ULK1MAPTLMNAMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651912-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2018-10-03 — — EP claimed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 — — US claimed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — US claimed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 — — US disclosed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 — — US disclosed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 — — US disclosed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — US disclosed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — US disclosed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — US 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 (1 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-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, PPOX PTK2 3175/4885MAPK10 3083/4885ULK1 2079/4885

“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.