SCHEMBL293991

SCHEMBL293991

CCS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 2/20 0.74
▸ MMP2 P08253 2/20 0.62
▸ MMP7 P09237 2/20 0.62
▸ MMP14 P50281 2/20 0.62
▸ RORC P51449 2/20 0.59
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ MMP1 P03956 1/20 0.55
▸ MMP3 P08254 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ MMP13 P45452 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ PTGS2 P35354 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL5134257 1.00 PSIP1 (0.74) PSIP1MMP2MMP7MMP14RORC
SCHEMBL180713 0.85 PSIP1 (1.00) PSIP1CA12CA1CA2CA9
SCHEMBL4629307 0.85 CYP2C9 (0.57) PSIP1MMP2MMP7MMP14RORC
Ammonia Solution, Strong SCHEMBL6978426 0.83 PSIP1 (0.95) PSIP1CA12CA1CA2CA9
Fluoride SCHEMBL9493182 0.83 PSIP1 (0.95) PSIP1CA12CA1CA2CA9
SCHEMBL10455034 0.83 PSIP1 (0.74) PSIP1CA2GAACYP3A4CYP2C9
SCHEMBL2704194 0.82 HDAC1 (0.56) PSIP1MMP2MMP7MMP14RORC
SCHEMBL14431973 0.82 PSIP1 (0.82) PSIP1RORCGAA
Methylamine SCHEMBL28266275 0.81 PSIP1 (0.90) PSIP1CA12CA1CA2CA9
SCHEMBL12704976 0.81 MMP2 (0.56) PSIP1MMP2MMP7MMP14RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158146-A1 HSP70 Inhibitors and Methods of Using Same THE WISTAR INST (US) 2023-05-25 — — US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
EP-3121655-B1 CHARGING MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC IMAGE FORMING APPARATUS CANON KK (JP) 2018-05-23 — — EP disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 — — US disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 — — EP disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 — — US disclosed
US-7879885-B2 such as N-(2-Amino-6-methylpyridin-3-ylmethyl)-N-{2-[2-[(2-amino-6-methyl-pyridin-3-ylmethyl)formylamino]-1-(2-hydroxyethyl)-propenyldisulfanyl]-4-hydroxy-1-methylbut-1-enyl}formamide, used for inhibiting cell proliferation and tumor cell growth, stimulating apoptosis in tumor cells and treating cancer ARRAY BIOPHARMA, INC. (US) 2011-02-01 — — US disclosed
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 — — US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 — — EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 — — EP disclosed
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors ARRAY BIOPHARMA INC. (US) 2007-12-20 — — US disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 — — WO disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — 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-20230158146-A1 HSP70 Inhibitors and Methods of Using Same HSPA2, HSPBP1, HSP90AB1 PSIP1 2574/4885MMP2 732/4885MMP7 1437/4885
US-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS PSIP1 3339/4885MMP2 644/4885MMP7 1780/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PSIP1 649/4885MMP2 2324/4885MMP7 3175/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PSIP1 3985/4885MMP2 3330/4885MMP7 4251/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PSIP1 1500/4885MMP2 3149/4885MMP7 987/4885
US-20070293501-A1 Thioalkeneamides as Transketolase Inhibitors TKT, AKR1A1, RRM2 PSIP1 3976/4885MMP2 944/4885MMP7 3138/4885

“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.

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