SCHEMBL79058

SCHEMBL79058

O=C(O)SCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.58
NOS3 P29474 1/20 0.58
NOS1 P29475 1/20 0.58
NOS2 P35228 1/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2C19 P33261 1/20 0.52
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
AKR1B1 P15121 1/20 0.48
PAM P19021 1/20 0.47
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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 SCHEMBL11629727 0.98 IDO1 (0.59) IDO1NOS3NOS1NOS2CA12
SCHEMBL3070200 0.85 IDO1 (0.71) IDO1NOS3NOS1NOS2CA12
SCHEMBL2364065 0.83 IDO1 (0.69) IDO1NOS3NOS1NOS2CA12
SCHEMBL2499860 0.83 IDO1 (0.56) IDO1NOS3NOS1NOS2CA12
SCHEMBL42484 0.81 IDO1 (0.54) IDO1NOS3NOS1NOS2CA12
SCHEMBL6790276 0.81 TDP1 (0.55) IDO1NOS3NOS1NOS2CA12
SCHEMBL28340394 0.81 IDO1 (0.54) IDO1NOS3NOS1NOS2CA12
SCHEMBL16115015 0.81 IDO1 (0.54) IDO1NOS3NOS1NOS2CA12
SCHEMBL6963636 0.81 TDP1 (0.59) IDO1NOS3NOS1NOS2CA12
SCHEMBL1397310 0.81 IDO1 (0.65) IDO1NOS3NOS1NOS2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035402-A1 C10-ALKYLENE SUBSTITUTED 13-MEMBERED MACROLIDES AND USES THEREOF ZIKANI THERAPEUTICS INC (US) 2026-02-05 US claimed
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-13 US claimed
US-11634449-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-25 US claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP claimed
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-10-20 US claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
US-5478928-A Useful as antiviral agents in the treatment and prevention of AIDS SOUTHERN RESEARCH INSTITUTE (US) 1995-12-26 US claimed
WO-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 WO claimed
US-12637453-B2 Pyrazolopyridine inhibitors of c-Jun-n-Terminal kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-26 US disclosed
US-12637463-B2 Tricyclic kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-26 US disclosed
US-20260137806-A1 INTERCALATING SUGAR MOLECULES XALUD THERAPEUTICS, INC. (US) 2026-05-21 US disclosed
WO-2026107134-A1 USE OF SMALL MOLECULE GLUTAMINASE INHIBITORS FOR TREATING AGE-RELATED DISORDERS LEAL THERAPEUTICS, INC. (US) 2026-05-21 WO disclosed
WO-2002076400-A2 INOSINE COMPOUNDS AND THEIR USE FOR TREATING OR PREVENTING AN INFLAMATION OR A REPERFUSION DISEASE INOTEK PHARMACEUTICALS CORPORATION (US) 2002-10-03 WO disclosed
CN-1365277-A Methods of treating chronic pain using MEK inhibitors VARNER LAMBERT CO (US) 2002-08-21 CN disclosed
CN-1358095-A Methods of treating chronic pain using MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN disclosed
US-4305958-A Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-12-15 US disclosed
US-4137420-A EXPECTORANTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1979-01-30 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 (7 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-12637463-B2 Tricyclic kinase inhibitors and uses thereof CDK1, CDK11A, CDK11B IDO1 1458/4885NOS3 1712/4885NOS1 934/4885
US-20260035402-A1 C10-ALKYLENE SUBSTITUTED 13-MEMBERED MACROLIDES AND USES THEREOF MALT1, CCR10, CYP51A1 IDO1 2101/4885NOS3 4036/4885NOS1 4007/4885
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE CYP11B2, ERG28, DHCR7 IDO1 3560/4885NOS3 3718/4885NOS1 3552/4885
US-11634449-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 IDO1 3560/4885NOS3 3718/4885NOS1 3552/4885
US-20260137806-A1 INTERCALATING SUGAR MOLECULES SLC2A1, SLC2A2, SLC2A4 IDO1 4233/4885NOS3 3042/4885NOS1 2231/4885
US-12637453-B2 Pyrazolopyridine inhibitors of c-Jun-n-Terminal kinases and uses thereof MAP3K1, MAP3K3, MAPK1 IDO1 1347/4885NOS3 513/4885NOS1 863/4885
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents ROS1, NOX4, NOX5 IDO1 187/4885NOS3 293/4885NOS1 718/4885

“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.