SCHEMBL3038955

SCHEMBL3038955

CC(C)[C@H](NC(=O)c1cccs1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 4/20 0.60
▸ HSPA2 P54652 2/20 0.60
▸ HSPA9 P38646 1/20 0.60
▸ RAB9A P51151 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HDAC1 Q13547 1/20 0.53
▸ CA2 P00918 2/20 0.49
▸ CA1 P00915 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ DAO P14920 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL13222393 1.00 HSPA5 (0.60) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL13222397 0.84 HSPA5 (0.57) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL30302026 0.82 HSPA5 (0.55) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL13753488 0.81 RAB9A (0.62) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL12376694 0.81 RAB9A (0.66) RAB9AALDH1A1HPGDHDAC1MEN1
SCHEMBL30302029 0.81 RAB9A (0.55) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL30302021 0.77 HSPA5 (0.50) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL8144685 0.76 HSPA5 (0.61) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL13222414 0.76 RAB9A (0.60) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL3038390 0.76 RAB9A (0.60) HSPA5HSPA2HSPA9RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230091297-A1 INHIBITORS OF HSP70 PROTEINS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-03-23 — — US disclosed
WO-2021183942-A1 INHIBITORS OF HSP70 PROTEINS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-09-16 — — WO disclosed
US-20100217008-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATE PRODUCTS RATIOPHARM GMBH (DE) 2010-08-26 — — US disclosed
US-20100217008-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATE PRODUCTS RATIOPHARM GMBH (DE) 2010-08-26 — — US disclosed
US-20100217008-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATE PRODUCTS RATIOPHARM GMBH (DE) 2010-08-26 — — US disclosed
EP-2097395-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATE PRODUCTS Ratiopharm GmbH (DE) 2009-09-09 — — EP disclosed
WO-2008071400-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATE PRODUCTS RATIOPHARM GMBH (DE) 2008-06-19 — — WO disclosed
WO-2008071400-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATE PRODUCTS RATIOPHARM GMBH (DE) 2008-06-19 — — 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 (2 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-20100217008-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND INTERMEDIATE PRODUCTS REN, ACE, AGT HSPA5 2533/4885HSPA2 4198/4885HSPA9 4236/4885
US-20230091297-A1 INHIBITORS OF HSP70 PROTEINS HSPA2, HSP90AB2P, HSP90AB1 HSPA5 14/4885HSPA2 1/4885HSPA9 19/4885

“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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