SCHEMBL4379883

SCHEMBL4379883

N[C@@H](Cc1ccccc1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
PDPK1 O15530 1/20 0.43
CYP1A2 P05177 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
PKM P14618 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HSPA1A P0DMV8 1/20 0.40
HSPA5 P11021 1/20 0.40
HSPA9 P38646 1/20 0.40
HSPA2 P54652 1/20 0.40
CTSA P10619 2/20 0.40
PTPRB P23467 1/20 0.39
ADRB3 P13945 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
SCHEMBL8143963 1.00 EPHX1 (0.44) EPHX1PDPK1CYP1A2SLC6A2TAAR1
SCHEMBL6685124 1.00 EPHX1 (0.44) EPHX1PDPK1CYP1A2SLC6A2TAAR1
Hydrochloric Acid SCHEMBL22691669 0.98 EPHX1 (0.42) EPHX1PDPK1CYP1A2SLC6A2TAAR1
Hydrochloric Acid SCHEMBL22691671 0.98 EPHX1 (0.42) EPHX1PDPK1CYP1A2SLC6A2TAAR1
SCHEMBL2808151 0.91 PDPK1 (0.46) PDPK1TAAR1HSPA1AHSPA5HSPA9
Trifluoroacetic Acid SCHEMBL28342750 0.89 PTPRB (0.43) PKMHSPA1AHSPA5HSPA9HSPA2
SCHEMBL792960 0.87 LTA4H (0.53) CYP1A2SLC6A2MAOASLC6A3CTSA
Hydrochloric Acid SCHEMBL772237 0.86 LTA4H (0.52) CYP1A2SLC6A2MAOASLC6A3CTSA
SCHEMBL19257973 0.85 RAD52 (0.46) SLC6A4PTPRB
Hydrochloric Acid SCHEMBL20586638 0.83 RAD52 (0.45) MAOASLC6A4PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260131016-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC (US) 2026-05-14 US disclosed
EP-4426714-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF Adcentrx Therapeutics Inc. (US) 2024-09-11 EP disclosed
CN-118541378-A Novel auristatin analogues and immunoconjugates thereof 艾德森特克斯治疗股份有限公司 2024-08-23 CN disclosed
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2024-03-05 US disclosed
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2023-05-30 US disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 EP disclosed
US-6103698-A USEFUL IN TREATING CANCER IN A MAMMAL; IN COMBINATION WITH PACLITAXEL AND TAXOTERE BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
EP-0981358-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
US-6020495-A Stereoselective method for synthesizing dolaphenine PHARM-ECO LABORATORIES, INC. (US) 2000-02-01 US disclosed
US-6015790-A Methods and compositions for treating rheumatoid arthritis BASF AKTIENGESELLSCHAFT (DE) 2000-01-18 US disclosed
WO-1998040092-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
EP-0642530-B1 DERIVATIVES OF DOLASTATIN BASF AG (DE) 1998-08-12 EP disclosed
US-5750713-A Stereoselective method for synthesizing dolaphenine PHARM-ECO LABORATORIES, INC. (US) 1998-05-12 US disclosed
WO-1996039399-A1 STEREOSELECTIVE METHOD FOR SYNTHESIZING DOLAPHENINE PHARM-ECO LABORATORIES, INC. (US) 1996-12-12 WO disclosed
EP-0642530-A1 DERIVATIVES OF DOLASTATIN BASF Aktiengesellschaft (DE) 1995-03-15 EP disclosed
WO-1993023424-A1 DERIVATIVES OF DOLASTATIN BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 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 (4 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-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR EPHX1 1895/4885PDPK1 4580/4885CYP1A2 2433/4885
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 EPHX1 3108/4885PDPK1 3505/4885CYP1A2 2554/4885
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer IGF1R, IGFBP1, IGFBP5 EPHX1 4663/4885PDPK1 1398/4885CYP1A2 3703/4885
US-20260131016-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF FCGR2A, FCGR3B, AURKC EPHX1 4227/4885PDPK1 3950/4885CYP1A2 4520/4885

“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.