SCHEMBL3862277

SCHEMBL3862277

O=C(O)c1ccc2c(c1)COO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
SRD5A2 P31213 5/20 0.42
SRD5A1 P18405 3/20 0.42
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
RXRA P19793 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
CA6 P23280 1/20 0.39
PTGS2 P35354 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Piperidine SCHEMBL11861125 0.88 KDM4E (0.42) ALDH1A1TDP1MAPK1CA1CA2
SCHEMBL11215650 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1CA1CA2
SCHEMBL528982 0.84 TSHR (0.51) ALDH1A1CA1CA2KDM4ETSHR
SCHEMBL11696154 0.84 NPC1 (0.50) TDP1CA1CA2KDM4EMAPT
SCHEMBL11692745 0.83 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1CA1CA2
SCHEMBL28071044 0.82 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1CA1CA2
SCHEMBL11841323 0.80 HDAC8 (0.42) GAATSHRMEN1KMT2A
SCHEMBL11696436 0.80 ATM (0.55) ALDH1A1TDP1MAPTPOLBGAA
SCHEMBL11693909 0.80 KDM4E (0.46) ALDH1A1TDP1MAPK1CA1CA2
SCHEMBL16258585 0.79 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1CA1CA2

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
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-20230391763-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2023-12-07 US disclosed
CN-106132954-B 1,3- benzodioxole derivative 第三共株式会社 2019-01-08 CN disclosed
CN-106132954-A 1,3 benzodioxole derivant 第三共株式会社 2016-11-16 CN disclosed
CN-105408321-A Novel derivatives of indole and pyrrole, method for the production thereof and pharmaceutical compositions containing same SERVIER LAB 2016-03-16 CN disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
US-7524976-B2 Process for preparing difluorobenzo-1,3-dioxole-5-carboxylic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-04-28 US disclosed
EP-1595876-B1 Process for the preparation of derivatives of difluorobenzo-(1,3)-dioxole-5-carboxylic acid SALTIGO GMBH (DE) 2007-12-12 EP disclosed
US-20050277692-A1 Process for preparing difluorobenzo-1,3-dioxole-5-carboxylic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2005-12-15 US disclosed
EP-1595876-A1 Process for the preparation of derivatives of difluorobenzo-(1,3)-dioxole-5-carboxylic acid Lanxess Deutschland GmbH (DE) 2005-11-16 EP disclosed
WO-2001028981-A1 1-CYCLOHEXENE-1-CARBOXYLIC ACID AND 1-CYCLOHEXENE-1-CARBOXYLATES AS NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed
US-4389403-A HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1983-06-21 US disclosed
EP-0037471-A1 1-Aroyl-2-phenylamino-2-imidazolines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (3 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-20230391763-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY CRH, AVPR1B, CRHR2 ALDH1A1 3614/4885TDP1 1775/4885MAPK1 773/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ALDH1A1 2257/4885TDP1 4270/4885MAPK1 2666/4885
US-20050277692-A1 Process for preparing difluorobenzo-1,3-dioxole-5-carboxylic acid derivatives BROX, DDT, DAO ALDH1A1 351/4885TDP1 1958/4885MAPK1 1432/4885

“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.