SCHEMBL751651

SCHEMBL751651

COc1ccc(C(N)CS(C)(=O)=O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
ACHE P22303 2/20 0.51
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NFKB1 P19838 1/20 0.43
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA5A P35218 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL636037 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL302947 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL29679711 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL753579 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL752748 0.90 PDE4B (0.53) CA1CA2ACHEPDE4APDE4B
SCHEMBL15580915 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL15869362 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL15869339 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL15580926 0.90 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL18826576 0.87 PDE4B (0.48) CA1CA2ACHEPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107964016-B Thiophene derivatives 天津合美医药科技有限公司 2021-10-01 CN disclosed
CN-108059635-B Thiophene derivatives 天津合美医药科技有限公司 2021-10-01 CN disclosed
CN-107722036-B Thiophene derivatives 天津合美医药科技有限公司 2020-09-04 CN disclosed
US-10662189-B2 PDE4 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2020-05-26 US disclosed
US-10611775-B2 Thiophene derivatives TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2020-04-07 US disclosed
US-20190322684-A1 THIOPHENE DERIVATIVES TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2019-10-24 US disclosed
US-10385062-B2 Thiophene derivatives TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2019-08-20 US disclosed
EP-3502111-A1 PDE4 INHIBITOR Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-26 EP disclosed
US-20190177318-A1 PDE4 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2019-06-13 US disclosed
US-20170197982-A1 THIOPHENE DERIVATIVES GANZHOU HEMAY PHARMACEUTICAL CO., LTD. (CN) 2017-07-13 US disclosed
US-9630975-B2 Thiophene derivatives TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2017-04-25 US disclosed
US-8952178-B2 Thiophene derivatives TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-02-10 US disclosed
US-20140255342-A1 THIOPHENE DERIVATIVES TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2014-09-11 US disclosed
EP-2431371-B1 THIOPHENE DERIVATIVES TIANJIN HEMAY BIO TECH CO LTD (CN) 2013-10-09 EP disclosed
US-20120107269-A1 THIOPHENE DERIVATIVES Tianjin Hemay Biotech Co., Ltd (CN) 2012-05-03 US disclosed
EP-2431371-A1 THIOPHENE DERIVATIVES Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2012-03-21 EP 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 (8 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-10385062-B2 Thiophene derivatives TSHR, RB1, TAS2R7 CA1 4732/4885CA2 4531/4885ACHE 273/4885
US-20190177318-A1 PDE4 INHIBITOR PDE4A, PDE12, PDE4B CA1 2356/4885CA2 601/4885ACHE 128/4885
US-20120107269-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 CA1 4732/4885CA2 4531/4885ACHE 273/4885
US-10611775-B2 Thiophene derivatives TSHR, RB1, TAS2R7 CA1 4732/4885CA2 4531/4885ACHE 273/4885
US-20170197982-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 CA1 4732/4885CA2 4531/4885ACHE 273/4885
US-20140255342-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 CA1 4732/4885CA2 4531/4885ACHE 273/4885
US-10662189-B2 PDE4 inhibitor PDE4A, PDE12, PDE4B CA1 2356/4885CA2 601/4885ACHE 128/4885
US-20190322684-A1 THIOPHENE DERIVATIVES TSHR, RB1, TAS2R7 CA1 4732/4885CA2 4531/4885ACHE 273/4885

“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.